Compound Identification
SMILES
CCOC(=O)C1=C(C)N(C(=O)N(CCOCCOCCOCCN2C(C3=CC=C(C=C3)C#N)C(C(=O)OCC)=C(C)N(C2=O)C2=CC=CC(=C2)C(F)(F)F)C1C1=CC=C(C=C1)C#N)C1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=YVAYYFZWQAKGBT-UHFFFAOYSA-N
Formula
C52H50F6N6O9
Mass
1016.995
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Hydropyrimidine carboxylic acids and derivatives Benzonitriles Pyrimidones Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Ureas Nitriles Dialkyl ethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Hydropyrimidine carboxylic acid derivative - Benzonitrile - Pyrimidone - Dicarboxylic acid or derivatives - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Urea - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Nitrile - Carbonitrile - Alkyl halide - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available